GD022142

Name:

None

Formula:

C40H46O25N32P4

Smiles:

[N-]=[N+]=Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@H](COP(=O)(O)O)O[C@H]4n4c(N=[N+]=[N-])nc5c(N)ncnc54)O[C@H]3n3c(N=[N+]=[N-])nc4c(N)ncnc43)O[C@H]2n2c(N=[N+]=[N-])nc3c(N)ncnc32)[C@H](O)[C@H]1O

Aglycone:

COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.[N-]=[N+]=NC1=Nc2c(N)ncnc2[N]1.[N-]=[N+]=NC1=Nc2c(N)ncnc2[N]1.[N-]=[N+]=NC1=Nc2c(N)ncnc2[N]1.[N-]=[N+]=NC1=Nc2c(N)ncnc2[N]1

Sugarmoiety:

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL2368698

AD00079

Formula: CH5O4P

Smiles:

COP(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.27	Num_rotatable_bonds:	1
MolWt:	112.02	Num_heavy_atoms:	6
TPSA:	66.76	NumAromaticRings:	0

AD03673

Formula: C5H3N8

Smiles:

[N-]=[N+]=NC1=Nc2c(N)ncnc2[N]1

HBA:	8	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	0.61	Num_rotatable_bonds:	0
MolWt:	175.14	Num_heavy_atoms:	13
TPSA:	127.02	NumAromaticRings:	1